Chemotion Repository

Chemotion ELN contributors

What's Changed

• Features and enhancements:

  • Dataset Excel improvement: More information is provided in the Description sheet. See the documentation here.
  • Inbox Converter: The device files are converted automatically when they arrive in the inbox.
  • Introduced Repo Search Tool: A search tool is now accessible on the Chemotion Repository Home page. This tool enables searches by author, chemical methods ontology, IUPAC, InChi, SMILES, or even allows users to draw a structure for searching in Data Publications or Molecule Archive.
  • Enhanced JSON-LD Option: An additional option has been incorporated into JSON-LD, allowing users to view all samples of the published reaction.
  • JSON-LD Format Support: Data Publications now support the JSON-LD format. We are continually refining this function to align more closely with schema.org standards.
  • Introduced Review Guidelines and Reviewers' Introduction Section: We have added a dedicated section to clearly outline the review guidelines and provide an introduction for reviewers.
  • LabIMotion Hub UI Optimization: We have optimized the LabIMotion Hub UI to improve user experience.
  • Implemented Lock mechanism: The original sample or reaction is automatically locked upon submission. Submitters have the option to unlock it for further editing.
  • Enhanced the front-end code to eliminate the 'unique key of child' warning.
  • Introduced Generic Dataset section in Publication Page: Generic datasets are now displayed on the publication page, enhancing the overall user experience. Example link: Reaction DOI.
  • Introduced Generic Dataset in Review Page: Similarly, Generic Datasets are visible on the review page, providing comprehensive information to reviewers.
  • Refactored Submission Data Check Modal: The submission data check modal has been refactored for better user experience.
  • Always Create a New Record for Review Comments: A new record is now created for each review comment. This feature is applicable for actions taken after deployment.
  • Introduced Converter Feature for Inbox Data: A converter feature has been added to facilitate easy conversion of inbox data, streamlining data processing tasks.
  • Made Temperature, Duration, and Description Optional for Submission: Users now have the flexibility to submit data without providing temperature, duration, and description, simplifying the submission process.
  • Re-packed the MolViewer to deal with cif file.
  • Invisibility of Temperature, Duration, and Description on Publication Page: If no data is available, temperature, duration, and description fields are now invisible on the publication page, providing a cleaner and more concise presentation.
  • Introduced Review Comment Ownership feature: User can now create review comments to maintain ownership and clarity.
  • Enhanced Review Comments: Added the capability to attach review comments to the physical properties of the sample.
  • Improved User Comment Modal: The User Comment Modal can now be dragged and ensures the background remains visible.
  • Automatic Closure of Review Modal: The Review Modal now closes automatically when the user closes the element on the review page.
  • Improved the Submission Check view: The Submission Check view has been enhanced to provide a better user experience.
  • Introduced Download Metadata and Data: Users have the ability to acquire metadata in xlsx format(Dataset Excel). Furthermore, an option is provided for users to download both the data and metadata together as a compressed zip file.
  • Implemented a feature for global user labeling: Authorized users can now define a global label that is accessible to all users.
  • Introduced LabIMotion Template Hub: The LabIMotion Template Hub is now available for users to access and download templates. See here for more information.
  • Added license to the linked data.
  • Added X-Vial to the Publication Page.
  • Introduced MolViewer: Users can now use the button Viewer to view molecules structure in the MolViewer.
  • Added .tool-versions file to the repository.

• Bug fixes:

  • Resolved a bug causing an invalid date format in certain cases.
  • Addressed an issue where reviewers encountered an empty embargo list.
  • Fixed a bug where scientists organizing report content experienced page breaks.
  • Corrected Navigation URLs: Navigation URLs have been reviewed and corrected to prevent incorrect redirects, ensuring seamless browsing for users.
  • Fixed Issue with Missing File Extensions: An issue occurring when filenames lacked file extensions has been resolved. Files are now handled correctly regardless of the presence of an extension.
  • Text Copying Issue Resolved: The problem with copying text in the User Comment Modal has been fixed.
  • Fixed the issue where the unit data cannot be displayed in the publication page.
  • Addressed an issue where terminology data was not retained following import.
  • Resolved an issue where users were unable to utilize the 'Compare View' feature to assess the disparities between the submitted data and the current working version.
  • Fixed the issue that different molecule shows the same structure in the MolViewer.
  • Corrected dataCatalog syntax error.

• Chores:

  • Upgraded ChemSpectra.
  • Upgraded Converter.
  • Upgraded Labimotion.
  • Upgraded NMRium.
  • Upgraded node version.
  • Upgraded Ruby version.
  • Included the Chemotion ELN version 1.8.1.